**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

a cis,cis-delta17,35-3-oxo-C54:2-[acp]

Properties Image MNX_ID MNXM11034 reference metacycM:cis-cis-D17-35-3-oxo-C54-2-ACPs formula C68H125N3O10PS*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C70H132N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-64(75)60-67(77)85-59-58-72-66(76)56-57-73-69(79)68(78)70(3,4)62-83-84(80,81)82-61-65(71-5)63(2)74/h23-24,41-42,65,68,71,78H,6-22,25-40,43-62H2,1-5H3,(H,72,76)(H,73,79)(H,80,81)/b24-23-,42-41-/t65-,68-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][13CH2:2][CH2:3][CH2:4][13CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]/[CH:19]=[CH:20]/[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]/[CH:37]=[CH:38]/[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][C:52]([CH2:53][C:54](=[CH2:55])[CH2:56][CH2:63][CH2:62][CH2:69][C:65]([CH2:60][CH2:61][CH2:70][C:67]([C@H:66]([C:68]([CH3:58])([CH3:59])[CH2:64][O:74][O:75]([O:83][O:76][O:77]([O:78]([OH:79])=[O:81])[O:80][OH:82])([PH2:84])=[S:85])[NH2:72])=[NH:73])=[NH:71])=[CH2:57]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:cis-cis-D17-35-3-oxo-C54-2-ACPs metacycM:cis-cis-D17-35-3-oxo-C54-2-ACPs	a cis,cis-delta17,35-3-oxo-C54:2-[acp]
seed.compound:cpd28411 seedM:cpd28411	a cis,cis-delta17,35-3-oxo-C54:2-[acp] cis-cis-D17-35-3-oxo-C54-2-ACPs
seedM:M_cpd28411	secondary/obsolete/fantasy identifier